CID 269623

Alpha-cyano-3-indoleacrylonitrile

Structural Information

Molecular Formula
C12H7N3
SMILES
C1=CC=C2C(=C1)C(=CN2)C=C(C#N)C#N
InChI
InChI=1S/C12H7N3/c13-6-9(7-14)5-10-8-15-12-4-2-1-3-11(10)12/h1-5,8,15H
InChIKey
KCGMQWDGOQQAGN-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-ylmethylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

13
Patents

193.064 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07128 161.6
[M+Na]+ 216.05322 172.6
[M-H]- 192.05672 162.9
[M+NH4]+ 211.09782 174.5
[M+K]+ 232.02716 165.3
[M+H-H2O]+ 176.06126 145.4
[M+HCOO]- 238.06220 172.8
[M+CH3COO]- 252.07785 168.6
[M+Na-2H]- 214.03867 163.2
[M]+ 193.06345 152.6
[M]- 193.06455 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe